N-[bis(azanyl)methylidene]-4-(2,4-dimethylimidazol-1-yl)-2-ethynyl-5-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-(2,4-dimethylimidazol-1-yl)-2-ethynyl-5-methylsulfonyl-benzamide Openeye Name: N-(diaminomethylene)-4-(2,4-dimethylimidazol-1-yl)-2-ethynyl-5-methylsulfonyl-benzamide CAS Name: N-(diaminomethylidene)-4-(2,4-dimethyl-1-imidazolyl)-2-ethynyl-5-methylsulfonylbenzamide IUPAC Name: N-(diaminomethylidene)-4-(2,4-dimethylimidazol-1-yl)-2-ethynyl-5-methylsulfonylbenzamide Traditional Name: N-(diaminomethylene)-4-(2,4-dimethylimidazol-1-yl)-2-ethynyl-5-mesyl-benzamide Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=N1)C)C2=C(C=C(C(=C2)C#C)C(=O)N=C(N)N)S(=O)(=O)C

Isomeric SMILES

CC1=CN(C(=N1)C)C2=C(C=C(C(=C2)C#C)C(=O)N=C(N)N)S(=O)(=O)C

InChI

InChI=1S/C16H17N5O3S/c1-5-11-6-13(21-8-9(2)19-10(21)3)14(25(4,23)24)7-12(11)15(22)20-16(17)18/h1,6-8H,2-4H3,(H4,17,18,20,22)